NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2264 8.1693 120.9952 55.0923 40.6629 174.0988 8 P 4.4495 0.0000 0.0000 62.0977 31.3932 177.0298 9 F 5.1988 8.3499 130.2691 55.5765 39.7362 177.5784 10 V 3.9719 8.3881 121.6365 64.5781 31.1938 176.5737 11 Q 4.6666 8.4279 120.5127 58.9647 28.6573 177.9876 12 L 3.8897 7.9961 120.5776 58.5754 40.7689 178.7742 13 F 4.3843 8.0906 120.9913 60.9345 39.5159 177.2922 14 L 3.5129 9.4115 118.6213 57.3958 41.0386 179.1951 15 E 3.8348 8.1481 118.7910 58.5723 29.1880 178.6897 16 E 3.8205 7.7280 116.6970 57.9351 30.0906 177.5111 17 I 3.8328 7.1952 110.7833 60.1985 38.9512 174.4813 18 G 3.5530 7.4233 108.6837 46.1817 0.0000 173.1837 19 C 4.4572 8.7031 116.9492 59.4518 29.8578 177.2806 20 T 3.9407 8.3235 118.1603 66.0608 68.2942 175.0903 21 Q 4.6680 8.1963 118.2725 56.4258 29.0995 175.3816 22 Y 5.2027 8.1079 112.5531 56.9619 39.5768 177.5871 23 L 4.4121 7.6529 121.1682 57.9268 41.3777 178.7352 24 D 4.7043 8.0173 118.4050 56.8390 40.8916 179.0553 25 S 4.1620 7.9111 115.7798 61.4469 62.7125 176.3309 26 F 4.1888 9.5825 121.5713 60.6948 38.4654 177.9103 27 I 4.1442 8.4460 118.5739 63.9679 36.8451 178.0904 28 Q 4.0937 7.3567 119.9681 59.2934 29.0701 177.1439 29 C 4.1696 7.6951 117.6354 59.9800 32.9764 173.2037 30 N 4.7273 9.5997 117.2984 54.3991 35.1116 174.1206 31 L 4.7860 7.2476 111.6806 54.8627 43.3866 177.9402 32 V 4.4450 7.9802 109.7992 61.3127 30.5653 175.6529 33 T 4.7184 7.4681 109.5248 59.9583 71.4730 172.9622 34 E 3.7128 8.4859 120.0245 56.2721 30.3269 177.2679 35 E 4.5116 7.6224 115.2228 57.8979 34.9774 176.7123 36 E 3.8879 7.7378 119.5271 59.0465 29.5688 179.3967 37 I 3.8349 6.6754 107.9677 62.7610 37.9418 177.0377 38 K 4.9793 7.7026 121.4510 58.0077 32.2467 175.8101 39 Y 4.5830 7.5636 119.5321 57.4210 39.1023 174.2189 40 L 4.8192 7.9450 116.7784 53.6518 43.4347 174.8587 41 D 5.0349 8.0510 118.3446 51.8442 45.3290 177.3949 42 K 4.0433 8.3477 119.2596 60.3876 32.7119 178.6961 43 D 4.5767 8.0854 118.6335 56.9891 40.8993 178.1604 44 I 3.7826 7.5101 119.4895 63.9724 37.3814 177.9816 45 L 4.1069 7.5587 119.5784 57.9219 41.1293 179.0706 46 I 4.3544 8.5547 119.9855 63.6971 37.5931 177.6090 47 A 4.1033 8.0049 120.4245 54.5857 18.3364 179.0115 48 L 4.1237 7.8859 118.7533 57.3522 42.0557 176.3133 49 G 3.4538 6.3158 106.8760 45.2447 0.0000 174.8606 50 V 4.3595 7.5752 114.1772 59.1819 31.4507 176.0784 51 N 4.4149 8.0693 117.7893 54.1591 36.7694 175.2357 52 K 3.8614 8.1320 119.3583 56.4243 31.7177 175.6537 53 I 3.9942 8.0185 124.7545 61.9763 38.6111 173.9581 54 G 4.1248 9.9376 113.3644 44.9510 0.0000 175.1335 55 D 4.4058 9.4304 122.5752 57.4273 41.9613 176.9260 56 R 3.9803 7.5493 116.7845 59.4932 30.1226 178.5667 57 L 3.9894 9.1659 120.5374 57.7834 42.0220 178.7706 58 K 3.8643 7.9157 119.1307 59.8280 32.1317 178.4774 59 I 3.7656 7.9115 119.9519 64.4760 36.7775 178.1288 60 L 3.7769 7.7368 120.3223 57.9640 42.1413 178.9235 61 R 4.0686 8.0249 118.6187 59.5121 30.1225 178.6354 62 K 4.1446 8.7832 118.5845 59.5975 32.0025 179.2542 63 S 4.3885 9.1923 116.6297 61.9659 62.8793 176.7929 64 K 4.2253 8.2108 120.2327 58.3913 31.6747 178.8439 65 S 4.0639 8.4653 114.1582 60.4010 62.4501 174.1197 66 F 4.5114 7.7096 118.2768 56.7465 39.3891 173.8439 67 Q 4.5550 8.3598 121.5490 56.4824 31.5058 175.6172 68 R 4.1788 7.6308 121.7117 56.8926 29.9915 174.6574 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 L 8.17 4.23 0.00 1.87 1.84 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.45 0.00 2.29 2.20 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 9 F 8.35 5.20 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.39 3.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.38 0.00 0.00 11 Q 8.43 4.67 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 12 L 8.00 3.89 0.00 1.31 1.24 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.09 4.38 0.00 3.15 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.41 3.51 0.00 1.82 1.38 1.07 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.15 3.83 0.00 2.24 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 16 E 7.73 3.82 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.00 0.00 17 I 7.20 3.83 1.58 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.31 0.53 0.00 0.00 18 G 7.42 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.70 4.46 0.00 2.37 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.32 3.94 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 21 Q 8.20 4.67 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.11 0.00 0.00 0.00 0.00 0.00 2.44 2.09 0.00 22 Y 8.11 5.20 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.65 4.41 0.00 1.76 1.70 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.02 4.70 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.91 4.16 0.00 4.20 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.58 4.19 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.45 4.14 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.95 0.00 0.00 28 Q 7.36 4.09 0.00 2.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 29 C 7.70 4.17 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.60 4.73 0.00 2.78 3.22 0.00 0.00 6.77 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.25 4.79 0.00 1.27 1.53 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.98 4.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 33 T 7.47 4.72 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 34 E 8.49 3.71 0.00 2.08 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 35 E 7.62 4.51 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 36 E 7.74 3.89 0.00 1.78 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 37 I 6.68 3.83 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.06 1.01 0.00 0.00 38 K 7.70 4.98 0.00 1.63 1.98 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.59 7.81 39 Y 7.56 4.58 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.94 4.82 0.00 1.68 1.75 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.05 5.03 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.35 4.04 0.00 2.05 2.08 0.00 1.43 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.57 7.81 43 D 8.09 4.58 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.51 3.78 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.64 0.88 0.00 0.00 45 L 7.56 4.11 0.00 1.88 1.83 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.55 4.35 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.05 0.98 0.00 0.00 47 A 8.00 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.89 4.12 0.00 1.64 1.92 1.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 49 G 6.32 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.58 4.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.20 0.00 0.00 51 N 8.07 4.41 0.00 2.84 2.95 0.00 0.00 6.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.13 3.86 0.00 1.93 1.94 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.51 7.81 53 I 8.02 3.99 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.75 0.93 0.00 0.00 54 G 9.94 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 9.43 4.41 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.55 3.98 0.00 1.88 2.04 0.00 3.50 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 57 L 9.17 3.99 0.00 1.76 1.73 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.92 3.86 0.00 1.81 1.89 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.45 7.81 59 I 7.91 3.77 2.07 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 1.16 0.00 0.00 60 L 7.74 3.78 0.00 1.67 1.92 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.02 4.07 0.00 2.16 1.95 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 62 K 8.78 4.14 0.00 1.91 2.27 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.59 7.81 63 S 9.19 4.39 0.00 4.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.21 4.23 0.00 1.98 1.88 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 65 S 8.47 4.06 0.00 3.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.71 4.51 0.00 3.13 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.36 4.55 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 68 R 7.63 4.18 0.00 1.75 1.74 0.00 3.44 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00